CID 14189996

1-(4-chlorophenyl)-1-phenylethanol

Structural Information

Molecular Formula
C14H13ClO
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
InChIKey
MHJLXHJZQCHSIT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

232.06549 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07277 149.8
[M+Na]+ 255.05471 158.3
[M-H]- 231.05821 155.3
[M+NH4]+ 250.09931 168.0
[M+K]+ 271.02865 152.6
[M+H-H2O]+ 215.06275 144.2
[M+HCOO]- 277.06369 166.8
[M+CH3COO]- 291.07934 186.8
[M+Na-2H]- 253.04016 157.0
[M]+ 232.06494 150.6
[M]- 232.06604 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe